SIY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C40 | sing | 1.53Å | 1.57Å | |
| C36 | O35 | sing | 1.43Å | 1.43Å | |
| C36 | C38 | sing | 1.51Å | 1.56Å | |
| O30 | C29 | sing | 1.43Å | 1.47Å | |
| O35 | C34 | sing | 1.43Å | 1.43Å | |
| C38 | C39 | doub | 1.31Å | 1.35Å | |
| C31 | O32 | sing | 1.43Å | 1.43Å | |
| C31 | C29 | sing | 1.53Å | 1.47Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C27 | C29 | sing | 1.53Å | 1.49Å | |
| C27 | O28 | sing | 1.43Å | 1.43Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C34 | C33 | sing | 1.53Å | 1.57Å | |
| O41 | C33 | sing | 1.43Å | 1.47Å | |
| O41 | C26 | sing | 1.43Å | 1.47Å | |
| C26 | O25 | sing | 1.43Å | 1.40Å | |
| O25 | C24 | sing | 1.42Å | 1.21Å | |
| C24 | C22 | sing | 1.51Å | 1.86Å | |
| C24 | C05 | sing | 1.51Å | 1.64Å | |
| O23 | C22 | sing | 1.43Å | 1.27Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C10 | C06 | sing | 1.53Å | 1.56Å | |
| C22 | C20 | sing | 1.50Å | 1.56Å | |
| C05 | C04 | doub | 1.31Å | 1.51Å | |
| C05 | C06 | sing | 1.50Å | 1.61Å | |
| C02 | C04 | sing | 1.50Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C04 | C09 | sing | 1.51Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.61Å | |
| C06 | C07 | sing | 1.55Å | 1.57Å | |
| C06 | C11 | sing | 1.49Å | 1.37Å | |
| C07 | C09 | sing | 1.54Å | 1.65Å | |
| C07 | O08 | sing | 1.42Å | 1.32Å | |
| C20 | C13 | sing | 1.49Å | 1.45Å | |
| C11 | C12 | doub | 1.31Å | 1.30Å | |
| C13 | C12 | sing | 1.49Å | 1.62Å | |
| C13 | C14 | sing | 1.55Å | 1.49Å | |
| C12 | C16 | sing | 1.53Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.54Å | 1.60Å | |
| C16 | C15 | sing | 1.53Å | 1.60Å | |
| C19 | O18 | sing | 1.43Å | 1.42Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.11Å | 1.08Å | |
| C13 | H131 | sing | 1.13Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.10Å | |
| C14 | H142 | sing | 1.08Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.14Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.12Å | 1.10Å | |
| C24 | H241 | sing | 1.12Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C39 | H392 | sing | 1.08Å | 1.08Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| O08 | H081 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å | |
| O28 | H281 | sing | 0.97Å | 0.95Å | |
| O30 | H301 | sing | 0.97Å | 0.95Å | |
| O32 | H321 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C40 | 108.8° | 109.5° |
| C37 | C36 | O35 | 106.2° | 109.5° |
| C37 | C36 | C38 | 108.4° | 109.5° |
| C36 | C37 | H371 | 109.5° | 109.4° |
| C36 | C37 | H373 | 109.4° | 109.4° |
| C36 | C37 | H372 | 109.5° | 109.5° |
| C40 | C36 | O35 | 111.5° | 109.4° |
| C40 | C36 | C38 | 113.4° | 109.5° |
| C36 | C40 | H403 | 109.5° | 109.5° |
| C36 | C40 | H402 | 109.5° | 109.5° |
| C36 | C40 | H401 | 109.5° | 109.5° |
| O35 | C36 | C38 | 108.3° | 109.5° |
| C36 | O35 | C34 | 114.2° | 114.0° |
| C36 | C38 | C39 | 121.7° | 120.0° |
| C36 | C38 | H381 | 119.1° | 120.0° |
| O30 | C29 | C31 | 108.0° | 109.6° |
| O30 | C29 | C27 | 105.3° | 109.6° |
| O30 | C29 | H291 | 110.3° | 109.6° |
| C29 | O30 | H301 | 109.5° | 114.0° |
| O35 | C34 | C33 | 106.5° | 109.5° |
| O35 | C34 | H342 | 110.2° | 109.4° |
| O35 | C34 | H341 | 110.2° | 109.5° |
| C39 | C38 | H381 | 119.2° | 120.0° |
| C38 | C39 | H391 | 120.0° | 120.0° |
| C38 | C39 | H392 | 120.0° | 120.0° |
| O32 | C31 | C29 | 111.1° | 109.5° |
| O32 | C31 | C33 | 108.0° | 109.5° |
| O32 | C31 | H311 | 109.8° | 109.5° |
| C31 | O32 | H321 | 109.5° | 114.0° |
| C29 | C31 | C33 | 110.5° | 109.2° |
| C31 | C29 | C27 | 112.9° | 109.0° |
| C31 | C29 | H291 | 110.2° | 109.5° |
| C29 | C31 | H311 | 109.2° | 109.5° |
| C31 | C33 | C34 | 108.9° | 109.5° |
| C31 | C33 | O41 | 110.1° | 109.4° |
| C33 | C31 | H311 | 108.2° | 109.6° |
| C31 | C33 | H331 | 109.2° | 109.5° |
| C29 | C27 | O28 | 116.6° | 109.5° |
| C29 | C27 | C26 | 108.0° | 109.2° |
| C29 | C27 | H271 | 108.5° | 109.5° |
| C27 | C29 | H291 | 110.0° | 109.5° |
| O28 | C27 | C26 | 106.0° | 109.5° |
| O28 | C27 | H271 | 109.3° | 109.6° |
| C27 | O28 | H281 | 109.5° | 114.0° |
| C27 | C26 | O41 | 108.1° | 109.4° |
| C27 | C26 | O25 | 109.5° | 109.5° |
| C27 | C26 | H261 | 108.8° | 109.5° |
| C26 | C27 | H271 | 108.0° | 109.5° |
| C34 | C33 | O41 | 109.7° | 109.5° |
| C34 | C33 | H331 | 108.8° | 109.5° |
| C33 | C34 | H342 | 110.2° | 109.4° |
| C33 | C34 | H341 | 110.2° | 109.5° |
| C33 | O41 | C26 | 112.3° | 114.1° |
| O41 | C33 | H331 | 110.2° | 109.5° |
| O41 | C26 | O25 | 110.1° | 109.5° |
| O41 | C26 | H261 | 109.6° | 109.5° |
| C26 | O25 | C24 | 108.0° | 114.0° |
| O25 | C26 | H261 | 110.7° | 109.5° |
| O25 | C24 | C22 | 114.3° | 117.0° |
| O25 | C24 | C05 | 109.1° | 114.2° |
| O25 | C24 | H241 | 114.2° | 106.3° |
| C22 | C24 | C05 | 105.8° | 101.3° |
| C24 | C22 | O23 | 102.6° | 111.5° |
| C24 | C22 | C20 | 115.6° | 114.6° |
| C24 | C22 | H221 | 104.6° | 106.8° |
| C22 | C24 | H241 | 105.4° | 108.5° |
| C24 | C05 | C04 | 121.3° | 123.9° |
| C24 | C05 | C06 | 128.4° | 126.9° |
| C05 | C24 | H241 | 107.5° | 109.3° |
| O23 | C22 | C20 | 114.3° | 111.5° |
| O23 | C22 | H221 | 111.8° | 104.8° |
| C22 | O23 | H231 | 109.5° | 114.0° |
| C01 | C02 | C04 | 107.6° | 109.5° |
| C01 | C02 | C03 | 114.2° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.1° | 109.5° |
| C10 | C06 | C05 | 105.6° | 114.6° |
| C10 | C06 | C07 | 108.2° | 107.9° |
| C10 | C06 | C11 | 111.5° | 113.4° |
| C06 | C10 | H101 | 109.5° | 109.5° |
| C06 | C10 | H103 | 109.5° | 109.5° |
| C06 | C10 | H102 | 109.5° | 109.5° |
| C22 | C20 | C21 | 112.2° | 111.5° |
| C22 | C20 | C13 | 114.9° | 118.0° |
| C22 | C20 | H201 | 105.4° | 104.3° |
| C20 | C22 | H221 | 107.5° | 107.0° |
| C04 | C05 | C06 | 109.9° | 109.1° |
| C05 | C04 | C02 | 127.0° | 125.9° |
| C05 | C04 | C09 | 106.8° | 110.4° |
| C05 | C06 | C07 | 99.5° | 104.5° |
| C05 | C06 | C11 | 121.3° | 108.3° |
| C04 | C02 | C03 | 107.9° | 109.5° |
| C02 | C04 | C09 | 125.6° | 123.6° |
| C04 | C02 | H021 | 108.9° | 109.5° |
| C03 | C02 | H021 | 109.0° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C04 | C09 | C07 | 106.3° | 105.1° |
| C04 | C09 | H092 | 110.2° | 109.9° |
| C04 | C09 | H091 | 110.2° | 110.3° |
| C21 | C20 | C13 | 111.8° | 113.2° |
| C21 | C20 | H201 | 105.0° | 103.0° |
| C20 | C21 | H212 | 109.5° | 109.4° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C07 | C06 | C11 | 109.6° | 107.5° |
| C06 | C07 | C09 | 103.0° | 98.4° |
| C06 | C07 | O08 | 117.8° | 111.2° |
| C06 | C07 | H071 | 107.8° | 110.9° |
| C06 | C11 | C12 | 132.8° | 128.2° |
| C06 | C11 | H111 | 113.6° | 116.0° |
| C09 | C07 | O08 | 109.2° | 110.5° |
| C09 | C07 | H071 | 107.0° | 111.9° |
| C07 | C09 | H092 | 110.3° | 109.8° |
| C07 | C09 | H091 | 110.3° | 110.4° |
| O08 | C07 | H071 | 111.3° | 113.0° |
| C07 | O08 | H081 | 109.5° | 114.0° |
| C20 | C13 | C12 | 117.7° | 130.7° |
| C20 | C13 | C14 | 111.9° | 111.4° |
| C20 | C13 | H131 | 109.1° | 105.9° |
| C13 | C20 | H201 | 106.6° | 105.0° |
| C11 | C12 | C13 | 127.8° | 134.7° |
| C11 | C12 | C16 | 122.1° | 119.9° |
| C12 | C11 | H111 | 113.6° | 115.8° |
| C12 | C13 | C14 | 101.9° | 97.6° |
| C13 | C12 | C16 | 109.1° | 105.3° |
| C12 | C13 | H131 | 107.1° | 105.4° |
| C13 | C14 | C15 | 107.8° | 101.1° |
| C14 | C13 | H131 | 108.6° | 102.6° |
| C13 | C14 | H141 | 109.9° | 110.6° |
| C13 | C14 | H142 | 109.9° | 110.2° |
| C12 | C16 | C17 | 112.0° | 111.4° |
| C12 | C16 | C15 | 107.4° | 102.4° |
| C12 | C16 | H161 | 110.1° | 109.9° |
| C16 | C17 | O18 | 109.4° | 109.5° |
| C17 | C16 | C15 | 109.3° | 109.8° |
| C17 | C16 | H161 | 109.6° | 111.4° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.5° | 109.4° |
| C17 | O18 | C19 | 112.0° | 114.0° |
| O18 | C17 | H171 | 109.5° | 109.5° |
| O18 | C17 | H172 | 109.5° | 109.5° |
| C14 | C15 | C16 | 98.5° | 106.2° |
| C15 | C14 | H141 | 109.9° | 110.0° |
| C15 | C14 | H142 | 109.9° | 111.0° |
| C14 | C15 | H152 | 112.1° | 110.0° |
| C14 | C15 | H151 | 112.1° | 109.8° |
| C16 | C15 | H152 | 112.1° | 110.2° |
| C16 | C15 | H151 | 112.1° | 110.0° |
| C15 | C16 | H161 | 108.4° | 111.6° |
| O18 | C19 | H193 | 109.5° | 109.5° |
| O18 | C19 | H192 | 109.5° | 109.5° |
| O18 | C19 | H191 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H033 | C03 | H031 | 109.5° | 109.4° |
| H033 | C03 | H032 | 109.4° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 111.2° |
| H101 | C10 | H103 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 113.3° |
| H152 | C15 | H151 | 109.5° | 110.7° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H193 | C19 | H192 | 109.5° | 109.4° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.4° |
| H212 | C21 | H211 | 109.5° | 109.4° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.4° | 109.5° |
| H342 | C34 | H341 | 109.4° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H373 | C37 | H372 | 109.5° | 109.4° |
| H391 | C39 | H392 | 120.0° | 120.0° |
| H403 | C40 | H402 | 109.4° | 109.5° |
| H403 | C40 | H401 | 109.5° | 109.4° |
| H402 | C40 | H401 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C40 | O35 | 116.7° | 120.0° |
| C37 | C36 | C40 | C38 | 120.7° | 120.1° |
| C37 | C36 | O35 | C38 | 116.2° | 120.1° |
| C37 | C36 | O35 | C34 | 168.7° | 55.2° |
| C37 | C36 | C38 | C39 | 119.4° | 115.8° |
| C36 | C37 | H371 | H373 | 120.0° | 120.0° |
| C36 | C37 | H371 | H372 | 120.0° | 120.0° |
| C36 | C37 | H373 | H372 | 120.0° | 120.0° |
| C37 | C36 | C38 | H381 | 60.6° | 64.1° |
| C37 | C36 | C40 | H403 | 180.0° | 180.0° |
| C37 | C36 | C40 | H402 | 60.0° | 60.0° |
| C37 | C36 | C40 | H401 | 60.0° | 60.0° |
| C40 | C36 | O35 | C38 | 125.4° | 120.0° |
| C40 | C36 | O35 | C34 | 50.4° | 64.8° |
| C40 | C36 | C38 | C39 | 1.6° | 124.2° |
| C40 | C36 | C37 | H371 | 180.0° | 60.0° |
| C40 | C36 | C37 | H373 | 60.0° | 180.0° |
| C40 | C36 | C37 | H372 | 60.0° | 60.0° |
| C40 | C36 | C38 | H381 | 178.4° | 55.9° |
| C36 | C40 | H403 | H402 | 120.0° | 120.0° |
| C36 | C40 | H403 | H401 | 120.0° | 120.0° |
| C36 | C40 | H402 | H401 | 120.0° | 120.0° |
| O35 | C36 | C38 | C39 | 125.8° | 4.2° |
| C36 | O35 | C34 | C33 | 172.8° | 174.5° |
| C36 | O35 | C34 | H342 | 53.3° | 65.5° |
| C36 | O35 | C34 | H341 | 67.6° | 54.5° |
| O35 | C36 | C37 | H371 | 59.9° | 180.0° |
| O35 | C36 | C37 | H373 | 179.9° | 60.0° |
| O35 | C36 | C37 | H372 | 60.1° | 59.9° |
| O35 | C36 | C38 | H381 | 54.2° | 175.9° |
| O35 | C36 | C40 | H403 | 63.2° | 60.0° |
| O35 | C36 | C40 | H402 | 56.7° | 180.0° |
| O35 | C36 | C40 | H401 | 176.7° | 60.0° |
| C38 | C36 | O35 | C34 | 75.0° | 175.3° |
| C36 | C38 | C39 | H381 | 180.0° | 179.9° |
| C38 | C36 | C37 | H371 | 56.2° | 60.0° |
| C38 | C36 | C37 | H373 | 63.8° | 60.0° |
| C38 | C36 | C37 | H372 | 176.2° | 180.0° |
| C36 | C38 | C39 | H391 | 180.0° | 3.8° |
| C36 | C38 | C39 | H392 | 0.0° | 176.2° |
| C38 | C36 | C40 | H403 | 59.3° | 60.0° |
| C38 | C36 | C40 | H402 | 179.2° | 60.0° |
| C38 | C36 | C40 | H401 | 60.8° | 180.0° |
| O30 | C29 | C31 | O32 | 69.1° | 63.1° |
| O30 | C29 | C31 | C27 | 116.0° | 119.9° |
| O30 | C29 | C31 | H291 | 120.5° | 120.3° |
| O30 | C29 | C31 | C33 | 171.1° | 176.9° |
| O30 | C29 | C27 | H291 | 118.8° | 120.2° |
| O30 | C29 | C27 | O28 | 63.8° | 63.2° |
| O30 | C29 | C27 | C26 | 177.0° | 176.9° |
| O30 | C29 | C27 | H271 | 60.2° | 57.0° |
| O30 | C29 | C31 | H311 | 52.2° | 56.9° |
| O35 | C34 | C33 | C31 | 58.6° | 176.9° |
| O35 | C34 | C33 | H342 | 119.5° | 120.0° |
| O35 | C34 | C33 | H341 | 119.6° | 120.1° |
| O35 | C34 | C33 | O41 | 61.9° | 63.2° |
| O35 | C34 | C33 | H331 | 177.6° | 56.9° |
| O35 | C34 | H342 | H341 | 121.4° | 120.0° |
| C38 | C39 | H391 | H392 | 180.0° | 180.0° |
| O32 | C31 | C29 | C33 | 119.9° | 119.9° |
| O32 | C31 | C29 | H311 | 121.2° | 120.1° |
| O32 | C31 | C33 | H311 | 118.7° | 120.1° |
| O32 | C31 | C29 | C27 | 174.9° | 176.9° |
| O32 | C31 | C33 | C34 | 66.0° | 62.5° |
| O32 | C31 | C33 | O41 | 173.8° | 177.6° |
| O32 | C31 | C29 | H291 | 51.5° | 57.1° |
| O32 | C31 | C33 | H331 | 52.7° | 57.5° |
| C29 | C31 | C33 | H311 | 119.5° | 119.9° |
| C31 | C29 | C27 | H291 | 123.6° | 119.8° |
| C31 | C29 | C27 | O28 | 178.6° | 176.8° |
| C31 | C29 | C27 | C26 | 59.4° | 56.9° |
| C29 | C31 | C33 | C34 | 172.3° | 177.6° |
| C29 | C31 | C33 | O41 | 52.1° | 57.6° |
| C31 | C29 | C27 | H271 | 57.4° | 63.0° |
| C29 | C31 | C33 | H331 | 69.0° | 62.4° |
| C31 | C29 | O30 | H301 | 180.0° | 179.6° |
| C29 | C31 | O32 | H321 | 180.0° | 59.9° |
| C33 | C31 | C29 | C27 | 55.0° | 57.0° |
| C31 | C33 | C34 | O41 | 120.5° | 119.9° |
| C31 | C33 | C34 | H331 | 118.9° | 120.1° |
| C31 | C33 | O41 | H331 | 120.5° | 120.0° |
| C31 | C33 | O41 | C26 | 57.2° | 61.2° |
| C33 | C31 | C29 | H291 | 68.4° | 62.8° |
| C31 | C33 | C34 | H342 | 60.9° | 57.0° |
| C31 | C33 | C34 | H341 | 178.2° | 63.0° |
| C33 | C31 | O32 | H321 | 58.7° | 179.6° |
| C29 | C27 | O28 | C26 | 120.2° | 119.7° |
| C29 | C27 | O28 | H271 | 123.6° | 120.2° |
| C29 | C27 | C26 | H271 | 117.2° | 119.9° |
| C29 | C27 | C26 | O41 | 60.7° | 57.6° |
| C29 | C27 | C26 | O25 | 59.3° | 62.4° |
| C29 | C27 | C26 | H261 | 179.7° | 177.6° |
| C27 | C29 | C31 | H311 | 63.9° | 63.0° |
| C29 | C27 | O28 | H281 | 180.0° | 179.9° |
| C27 | C29 | O30 | H301 | 59.1° | 60.0° |
| O28 | C27 | C26 | H271 | 117.1° | 120.2° |
| O28 | C27 | C26 | O41 | 173.6° | 177.5° |
| O28 | C27 | C26 | O25 | 66.5° | 57.5° |
| O28 | C27 | C26 | H261 | 54.6° | 62.5° |
| O28 | C27 | C29 | H291 | 55.0° | 57.1° |
| C27 | C26 | O41 | C33 | 62.0° | 61.1° |
| C27 | C26 | O41 | O25 | 119.5° | 120.0° |
| C27 | C26 | O41 | H261 | 118.5° | 120.0° |
| C27 | C26 | O25 | H261 | 119.9° | 120.0° |
| C27 | C26 | O25 | C24 | 163.7° | 143.3° |
| C26 | C27 | C29 | H291 | 64.2° | 62.8° |
| C26 | C27 | O28 | H281 | 59.8° | 60.4° |
| C34 | C33 | O41 | H331 | 119.8° | 120.0° |
| C34 | C33 | O41 | C26 | 177.0° | 178.9° |
| C34 | C33 | C31 | H311 | 52.8° | 57.6° |
| C33 | C34 | H342 | H341 | 121.4° | 120.0° |
| C33 | O41 | C26 | O25 | 57.6° | 58.8° |
| C33 | O41 | C26 | H261 | 179.6° | 178.9° |
| O41 | C33 | C31 | H311 | 67.5° | 62.3° |
| O41 | C33 | C34 | H342 | 178.6° | 176.9° |
| O41 | C33 | C34 | H341 | 57.7° | 56.9° |
| O41 | C26 | O25 | H261 | 121.4° | 120.1° |
| O41 | C26 | O25 | C24 | 77.6° | 96.8° |
| O41 | C26 | C27 | H271 | 56.5° | 62.3° |
| C26 | O41 | C33 | H331 | 63.2° | 58.9° |
| C26 | O25 | C24 | C22 | 115.5° | 122.1° |
| C26 | O25 | C24 | C05 | 126.2° | 119.8° |
| C26 | O25 | C24 | H241 | 5.9° | 0.7° |
| O25 | C26 | C27 | H271 | 176.4° | 177.7° |
| O25 | C24 | C22 | C05 | 120.1° | 124.9° |
| O25 | C24 | C22 | H241 | 126.2° | 120.1° |
| O25 | C24 | C05 | H241 | 124.3° | 118.9° |
| O25 | C24 | C22 | O23 | 61.7° | 156.3° |
| O25 | C24 | C22 | C20 | 173.2° | 28.5° |
| O25 | C24 | C05 | C04 | 47.1° | 122.4° |
| O25 | C24 | C05 | C06 | 141.4° | 53.5° |
| O25 | C24 | C22 | H221 | 55.2° | 89.8° |
| C24 | O25 | C26 | H261 | 43.7° | 23.3° |
| C22 | C24 | C05 | H241 | 112.2° | 114.4° |
| C24 | C22 | O23 | C20 | 125.9° | 129.5° |
| C24 | C22 | O23 | H221 | 111.6° | 115.2° |
| C24 | C22 | C20 | H221 | 116.4° | 118.2° |
| C22 | C24 | C05 | C04 | 76.4° | 110.8° |
| C22 | C24 | C05 | C06 | 95.1° | 73.3° |
| C24 | C22 | C20 | C21 | 58.7° | 137.3° |
| C24 | C22 | C20 | C13 | 70.6° | 3.6° |
| C24 | C22 | C20 | H201 | 172.4° | 112.3° |
| C24 | C22 | O23 | H231 | 180.0° | 50.5° |
| C05 | C24 | C22 | O23 | 178.2° | 31.4° |
| C24 | C05 | C06 | C10 | 42.3° | 91.9° |
| C05 | C24 | C22 | C20 | 53.1° | 96.4° |
| C24 | C05 | C04 | C06 | 172.9° | 176.5° |
| C24 | C05 | C04 | C02 | 0.6° | 6.5° |
| C24 | C05 | C04 | C09 | 172.2° | 171.0° |
| C24 | C05 | C06 | C07 | 154.3° | 150.2° |
| C24 | C05 | C06 | C11 | 85.7° | 35.8° |
| C05 | C24 | C22 | H221 | 65.0° | 145.3° |
| O23 | C22 | C20 | H221 | 124.8° | 114.0° |
| O23 | C22 | C20 | C21 | 60.1° | 9.4° |
| O23 | C22 | C20 | C13 | 170.6° | 124.2° |
| O23 | C22 | C20 | H201 | 53.6° | 119.9° |
| O23 | C22 | C24 | H241 | 64.4° | 83.6° |
| C01 | C02 | C04 | C05 | 109.2° | 124.2° |
| C01 | C02 | C04 | C03 | 123.7° | 120.0° |
| C01 | C02 | C04 | H021 | 118.2° | 120.0° |
| C01 | C02 | C03 | H021 | 122.3° | 120.0° |
| C01 | C02 | C04 | C09 | 61.0° | 58.6° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H033 | 180.0° | 53.4° |
| C01 | C02 | C03 | H031 | 60.0° | 66.6° |
| C01 | C02 | C03 | H032 | 60.0° | 173.4° |
| C10 | C06 | C05 | C04 | 145.4° | 91.7° |
| C10 | C06 | C05 | C07 | 112.0° | 117.9° |
| C10 | C06 | C05 | C11 | 128.0° | 127.8° |
| C10 | C06 | C07 | C11 | 121.8° | 122.7° |
| C10 | C06 | C07 | C09 | 146.6° | 88.4° |
| C10 | C06 | C07 | O08 | 93.2° | 155.7° |
| C10 | C06 | C11 | C12 | 111.9° | 63.5° |
| C10 | C06 | C07 | H071 | 33.7° | 29.0° |
| C06 | C10 | H101 | H103 | 120.0° | 120.0° |
| C06 | C10 | H101 | H102 | 120.0° | 120.0° |
| C06 | C10 | H103 | H102 | 120.0° | 120.0° |
| C10 | C06 | C11 | H111 | 68.1° | 118.4° |
| C22 | C20 | C21 | C13 | 130.8° | 135.9° |
| C22 | C20 | C21 | H201 | 114.0° | 111.3° |
| C22 | C20 | C13 | H201 | 116.4° | 115.6° |
| C22 | C20 | C13 | C12 | 109.8° | 50.1° |
| C22 | C20 | C13 | C14 | 132.7° | 171.7° |
| C22 | C20 | C13 | H131 | 12.5° | 77.5° |
| C22 | C20 | C21 | H212 | 180.0° | 91.1° |
| C22 | C20 | C21 | H211 | 60.0° | 28.9° |
| C22 | C20 | C21 | H213 | 60.0° | 149.0° |
| C20 | C22 | C24 | H241 | 60.6° | 148.6° |
| C20 | C22 | O23 | H231 | 54.1° | 180.0° |
| C05 | C04 | C02 | C09 | 170.1° | 177.2° |
| C05 | C04 | C02 | C03 | 127.2° | 115.8° |
| C04 | C05 | C06 | C07 | 33.4° | 26.2° |
| C04 | C05 | C06 | C11 | 86.5° | 140.6° |
| C05 | C04 | C09 | C07 | 9.5° | 17.5° |
| C05 | C04 | C02 | H021 | 9.0° | 4.2° |
| C05 | C04 | C09 | H092 | 110.0° | 135.6° |
| C05 | C04 | C09 | H091 | 129.0° | 101.4° |
| C04 | C05 | C24 | H241 | 171.4° | 3.5° |
| C06 | C05 | C04 | C02 | 173.5° | 177.0° |
| C06 | C05 | C04 | C09 | 14.9° | 5.5° |
| C05 | C06 | C07 | C11 | 128.2° | 114.9° |
| C05 | C06 | C07 | C09 | 36.6° | 34.0° |
| C05 | C06 | C07 | O08 | 156.8° | 81.9° |
| C05 | C06 | C11 | C12 | 13.4° | 65.0° |
| C05 | C06 | C07 | H071 | 76.3° | 151.4° |
| C05 | C06 | C10 | H101 | 180.0° | 40.8° |
| C05 | C06 | C10 | H103 | 60.0° | 160.8° |
| C05 | C06 | C10 | H102 | 60.0° | 79.2° |
| C05 | C06 | C11 | H111 | 166.6° | 113.2° |
| C06 | C05 | C24 | H241 | 17.1° | 172.4° |
| C04 | C02 | C03 | H021 | 118.1° | 120.0° |
| C02 | C04 | C09 | C07 | 162.3° | 160.1° |
| C04 | C02 | C01 | H011 | 180.0° | 60.0° |
| C04 | C02 | C01 | H012 | 60.0° | 180.0° |
| C04 | C02 | C01 | H013 | 60.0° | 60.0° |
| C04 | C02 | C03 | H033 | 60.5° | 173.4° |
| C04 | C02 | C03 | H031 | 179.5° | 53.4° |
| C04 | C02 | C03 | H032 | 59.5° | 66.6° |
| C02 | C04 | C09 | H092 | 78.2° | 42.0° |
| C02 | C04 | C09 | H091 | 42.8° | 81.0° |
| C03 | C02 | C04 | C09 | 62.7° | 61.4° |
| C03 | C02 | C01 | H011 | 60.3° | 60.0° |
| C03 | C02 | C01 | H012 | 179.7° | 60.0° |
| C03 | C02 | C01 | H013 | 59.7° | 180.0° |
| C02 | C03 | H033 | H031 | 120.0° | 120.0° |
| C02 | C03 | H033 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C04 | C09 | C07 | C06 | 30.5° | 30.9° |
| C04 | C09 | C07 | H092 | 119.5° | 118.1° |
| C04 | C09 | C07 | H091 | 119.5° | 118.9° |
| C04 | C09 | C07 | O08 | 156.4° | 85.5° |
| C09 | C04 | C02 | H021 | 179.1° | 178.6° |
| C04 | C09 | C07 | H071 | 83.0° | 147.5° |
| C04 | C09 | H092 | H091 | 121.5° | 122.4° |
| C21 | C20 | C13 | H201 | 114.2° | 111.6° |
| C21 | C20 | C13 | C12 | 19.6° | 82.7° |
| C21 | C20 | C13 | C14 | 97.9° | 38.9° |
| C21 | C20 | C13 | H131 | 141.9° | 149.7° |
| C20 | C21 | H212 | H211 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.1° |
| C21 | C20 | C22 | H221 | 175.1° | 104.6° |
| C06 | C07 | C09 | O08 | 125.9° | 116.4° |
| C06 | C07 | C09 | H071 | 113.5° | 116.6° |
| C06 | C07 | O08 | H071 | 125.2° | 125.5° |
| C07 | C06 | C11 | C12 | 128.3° | 177.3° |
| C06 | C07 | C09 | H092 | 89.0° | 149.0° |
| C06 | C07 | C09 | H091 | 150.0° | 88.0° |
| C07 | C06 | C10 | H101 | 74.3° | 156.7° |
| C07 | C06 | C10 | H103 | 45.7° | 83.3° |
| C07 | C06 | C10 | H102 | 165.8° | 36.7° |
| C07 | C06 | C11 | H111 | 51.7° | 0.8° |
| C06 | C07 | O08 | H081 | 180.0° | 180.0° |
| C11 | C06 | C07 | C09 | 91.6° | 148.9° |
| C11 | C06 | C07 | O08 | 28.6° | 33.0° |
| C06 | C11 | C12 | H111 | 180.0° | 178.2° |
| C06 | C11 | C12 | C13 | 13.8° | 7.5° |
| C06 | C11 | C12 | C16 | 179.1° | 176.0° |
| C11 | C06 | C07 | H071 | 155.5° | 93.7° |
| C11 | C06 | C10 | H101 | 46.3° | 84.3° |
| C11 | C06 | C10 | H103 | 166.4° | 35.7° |
| C11 | C06 | C10 | H102 | 73.6° | 155.7° |
| C09 | C07 | O08 | H071 | 117.9° | 126.4° |
| C07 | C09 | H092 | H091 | 121.5° | 122.5° |
| C09 | C07 | O08 | H081 | 63.2° | 71.8° |
| O08 | C07 | C09 | H092 | 36.9° | 32.6° |
| O08 | C07 | C09 | H091 | 84.1° | 155.6° |
| C20 | C13 | C12 | C11 | 80.8° | 6.4° |
| C20 | C13 | C12 | C14 | 122.8° | 126.9° |
| C20 | C13 | C12 | H131 | 123.3° | 127.7° |
| C20 | C13 | C14 | H131 | 120.5° | 112.9° |
| C20 | C13 | C12 | C16 | 110.7° | 176.7° |
| C20 | C13 | C14 | C15 | 94.1° | 172.0° |
| C20 | C13 | C14 | H141 | 25.7° | 71.5° |
| C20 | C13 | C14 | H142 | 146.2° | 54.6° |
| C13 | C20 | C21 | H212 | 49.2° | 44.8° |
| C13 | C20 | C21 | H211 | 70.9° | 164.8° |
| C13 | C20 | C21 | H213 | 169.2° | 75.1° |
| C13 | C20 | C22 | H221 | 45.8° | 121.8° |
| C11 | C12 | C13 | C16 | 168.5° | 176.9° |
| C11 | C12 | C13 | C14 | 156.4° | 133.3° |
| C11 | C12 | C16 | C17 | 57.8° | 34.1° |
| C11 | C12 | C16 | C15 | 177.8° | 151.4° |
| C11 | C12 | C13 | H131 | 42.5° | 121.3° |
| C11 | C12 | C16 | H161 | 64.4° | 89.9° |
| C12 | C13 | C14 | H131 | 112.8° | 107.7° |
| C13 | C12 | C16 | C17 | 132.9° | 148.4° |
| C12 | C13 | C14 | C15 | 32.6° | 48.6° |
| C13 | C12 | C16 | C15 | 12.9° | 31.1° |
| C13 | C12 | C11 | H111 | 166.2° | 170.7° |
| C12 | C13 | C14 | H141 | 152.3° | 67.9° |
| C12 | C13 | C14 | H142 | 87.2° | 166.0° |
| C13 | C12 | C16 | H161 | 104.9° | 87.6° |
| C12 | C13 | C20 | H201 | 133.8° | 165.7° |
| C14 | C13 | C12 | C16 | 12.1° | 49.9° |
| C13 | C14 | C15 | H141 | 119.7° | 117.0° |
| C13 | C14 | C15 | H142 | 119.7° | 116.8° |
| C13 | C14 | C15 | C16 | 39.7° | 30.8° |
| C13 | C14 | H141 | H142 | 120.8° | 124.3° |
| C13 | C14 | C15 | H152 | 78.4° | 150.0° |
| C13 | C14 | C15 | H151 | 157.9° | 88.0° |
| C14 | C13 | C20 | H201 | 16.3° | 72.7° |
| C12 | C16 | C17 | C15 | 118.9° | 112.7° |
| C12 | C16 | C17 | H161 | 122.5° | 123.1° |
| C12 | C16 | C17 | O18 | 177.4° | 175.0° |
| C12 | C16 | C15 | C14 | 30.7° | 1.0° |
| C12 | C16 | C15 | H161 | 118.9° | 117.5° |
| C16 | C12 | C11 | H111 | 1.0° | 5.8° |
| C16 | C12 | C13 | H131 | 126.1° | 55.6° |
| C12 | C16 | C15 | H152 | 87.5° | 120.1° |
| C12 | C16 | C15 | H151 | 148.8° | 117.6° |
| C12 | C16 | C17 | H171 | 57.4° | 54.9° |
| C12 | C16 | C17 | H172 | 62.6° | 65.0° |
| C16 | C17 | O18 | H171 | 120.0° | 120.1° |
| C16 | C17 | O18 | H172 | 120.0° | 119.9° |
| C17 | C16 | C15 | C14 | 152.4° | 117.4° |
| C17 | C16 | C15 | H161 | 119.4° | 124.1° |
| C16 | C17 | O18 | C19 | 179.6° | 180.0° |
| C17 | C16 | C15 | H152 | 34.3° | 1.7° |
| C17 | C16 | C15 | H151 | 89.4° | 124.0° |
| C16 | C17 | H171 | H172 | 120.0° | 119.9° |
| O18 | C17 | C16 | C15 | 63.7° | 72.3° |
| O18 | C17 | C16 | H161 | 54.9° | 51.8° |
| O18 | C17 | H171 | H172 | 120.1° | 120.0° |
| C17 | O18 | C19 | H193 | 180.0° | 60.0° |
| C17 | O18 | C19 | H192 | 60.0° | 60.0° |
| C17 | O18 | C19 | H191 | 60.0° | 180.0° |
| C14 | C15 | C16 | H152 | 118.2° | 119.1° |
| C14 | C15 | C16 | H151 | 118.2° | 118.7° |
| C15 | C14 | C13 | H131 | 145.4° | 59.2° |
| C15 | C14 | H141 | H142 | 120.8° | 124.9° |
| C14 | C15 | H152 | H151 | 125.1° | 121.4° |
| C14 | C15 | C16 | H161 | 88.2° | 118.6° |
| C16 | C15 | C14 | H141 | 159.5° | 86.1° |
| C16 | C15 | C14 | H142 | 80.0° | 147.7° |
| C16 | C15 | H152 | H151 | 125.1° | 121.8° |
| C15 | C16 | C17 | H171 | 176.3° | 167.6° |
| C15 | C16 | C17 | H172 | 56.3° | 47.7° |
| C19 | O18 | C17 | H171 | 59.6° | 60.0° |
| C19 | O18 | C17 | H172 | 60.4° | 60.0° |
| O18 | C19 | H193 | H192 | 120.0° | 120.0° |
| O18 | C19 | H193 | H191 | 120.0° | 120.0° |
| O18 | C19 | H192 | H191 | 120.0° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 119.9° |
| H011 | C01 | C02 | H021 | 61.9° | 180.0° |
| H012 | C01 | C02 | H021 | 58.0° | 60.0° |
| H013 | C01 | C02 | H021 | 178.1° | 60.0° |
| H021 | C02 | C03 | H033 | 57.7° | 66.6° |
| H021 | C02 | C03 | H031 | 62.4° | 173.4° |
| H021 | C02 | C03 | H032 | 177.6° | 53.4° |
| H033 | C03 | H031 | H032 | 119.9° | 120.0° |
| H071 | C07 | C09 | H092 | 157.5° | 94.4° |
| H071 | C07 | C09 | H091 | 36.5° | 28.6° |
| H071 | C07 | O08 | H081 | 54.7° | 54.5° |
| H101 | C10 | H103 | H102 | 120.0° | 120.0° |
| H131 | C13 | C14 | H141 | 94.9° | 175.7° |
| H131 | C13 | C14 | H142 | 25.6° | 58.3° |
| H131 | C13 | C20 | H201 | 103.9° | 38.1° |
| H141 | C14 | C15 | H152 | 41.3° | 33.1° |
| H141 | C14 | C15 | H151 | 82.4° | 155.0° |
| H142 | C14 | C15 | H152 | 161.8° | 93.1° |
| H142 | C14 | C15 | H151 | 38.2° | 28.8° |
| H152 | C15 | C16 | H161 | 153.6° | 122.3° |
| H151 | C15 | C16 | H161 | 30.0° | 0.1° |
| H161 | C16 | C17 | H171 | 65.0° | 68.2° |
| H161 | C16 | C17 | H172 | 174.9° | 171.8° |
| H193 | C19 | H192 | H191 | 120.0° | 120.0° |
| H201 | C20 | C21 | H212 | 66.1° | 157.6° |
| H201 | C20 | C21 | H211 | 173.9° | 82.4° |
| H201 | C20 | C21 | H213 | 54.0° | 37.6° |
| H201 | C20 | C22 | H221 | 71.2° | 5.9° |
| H212 | C21 | H211 | H213 | 120.0° | 120.0° |
| H221 | C22 | C24 | H241 | 178.7° | 30.4° |
| H221 | C22 | O23 | H231 | 68.4° | 64.7° |
| H261 | C26 | C27 | H271 | 62.5° | 57.7° |
| H271 | C27 | C29 | H291 | 179.0° | 177.3° |
| H271 | C27 | O28 | H281 | 56.4° | 59.8° |
| H291 | C29 | C31 | H311 | 172.7° | 177.2° |
| H291 | C29 | O30 | H301 | 59.5° | 60.2° |
| H311 | C31 | C33 | H331 | 171.5° | 177.7° |
| H311 | C31 | O32 | H321 | 59.1° | 60.2° |
| H331 | C33 | C34 | H342 | 58.0° | 63.1° |
| H331 | C33 | C34 | H341 | 62.9° | 176.9° |
| H371 | C37 | H373 | H372 | 120.0° | 120.0° |
| H381 | C38 | C39 | H391 | 0.0° | 176.1° |
| H381 | C38 | C39 | H392 | 180.0° | 3.9° |
| H403 | C40 | H402 | H401 | 120.0° | 120.0° |
